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{
"id": "mp-1177184",
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"structure_string": "Li8 V6 P16 O58\n1.0\n-9.790875 0.000000 0.000000\n4.881323 8.520759 0.000000\n-0.023371 -0.058424 -14.197681\nLi V P O\n8 6 16 58\ndirect\n0.901055 0.666220 0.444345 Li\n0.311297 0.083829 0.939099 Li\n0.906720 0.226665 0.938599 Li\n0.763272 0.090140 0.441986 Li\n0.686394 0.906990 0.053303 Li\n0.101022 0.333323 0.560931 Li\n0.231171 0.320101 0.059820 Li\n0.041696 0.988619 0.509834 Li\n0.429712 0.995639 0.742978 V\n0.562273 0.997748 0.251014 V\n0.001218 0.571078 0.244388 V\n0.000159 0.437585 0.754246 V\n0.567432 0.568689 0.749187 V\n0.440445 0.433467 0.257323 V\n0.767975 0.684237 0.156659 P\n0.912588 0.685982 0.658753 P\n0.308351 0.225510 0.661300 P\n0.657866 0.326274 0.867682 P\n0.676134 0.338184 0.370748 P\n0.319402 0.089807 0.159180 P\n0.219856 0.913939 0.340147 P\n0.910708 0.230017 0.158532 P\n0.086473 0.775202 0.840746 P\n0.775670 0.091081 0.658348 P\n0.681190 0.911695 0.837392 P\n0.335002 0.662815 0.630043 P\n0.334926 0.660150 0.132009 P\n0.692498 0.775770 0.341217 P\n0.087326 0.318611 0.339078 P\n0.233484 0.320461 0.844394 P\n0.787083 0.780812 0.424239 O\n0.741551 0.656555 0.672254 O\n0.004774 0.774387 0.927643 O\n0.909705 0.654602 0.164072 O\n0.615859 0.525834 0.178356 O\n0.653314 0.468824 0.819476 O\n0.461252 0.384421 0.668415 O\n0.248081 0.247066 0.933901 O\n0.341609 0.258229 0.168105 O\n0.818754 0.490219 0.327073 O\n0.912260 0.531356 0.670340 O\n0.523991 0.334494 0.324905 O\n0.646650 0.323739 0.972277 O\n0.677965 0.353559 0.475077 O\n0.510801 0.176341 0.824269 O\n0.900714 0.380201 0.177993 O\n0.811126 0.326925 0.833067 O\n0.344263 0.088043 0.664499 O\n0.202891 0.993515 0.243533 O\n0.192606 0.989101 0.422837 O\n0.255774 0.018184 0.066272 O\n0.479445 0.097847 0.182036 O\n0.679085 0.189831 0.334646 O\n0.258867 0.917333 0.833815 O\n0.618259 0.090595 0.673319 O\n0.917082 0.260378 0.666668 O\n0.008436 0.798416 0.745408 O\n0.978680 0.770388 0.567921 O\n0.005721 0.233979 0.427990 O\n0.079667 0.739691 0.332119 O\n0.377747 0.916940 0.332106 O\n0.745958 0.082723 0.158413 O\n0.333849 0.812950 0.674208 O\n0.523762 0.907486 0.819422 O\n0.757735 0.999645 0.926654 O\n0.782254 0.018247 0.567313 O\n0.793577 0.000964 0.748371 O\n0.658660 0.914413 0.338401 O\n0.184007 0.658870 0.177714 O\n0.093331 0.620637 0.822016 O\n0.482797 0.811973 0.170079 O\n0.323821 0.651305 0.027618 O\n0.343812 0.670658 0.525590 O\n0.483505 0.668196 0.677272 O\n0.085234 0.472602 0.325293 O\n0.187857 0.512827 0.667625 O\n0.656267 0.744203 0.834632 O\n0.791137 0.795192 0.246723 O\n0.759188 0.762659 0.070410 O\n0.533716 0.618501 0.328512 O\n0.334130 0.512627 0.174867 O\n0.381186 0.478363 0.823044 O\n0.084272 0.336839 0.843648 O\n0.001346 0.246108 0.069658 O\n0.000314 0.209030 0.248344 O\n0.258128 0.348082 0.333749 O\n0.201692 0.206154 0.580435 O\n0.211998 0.204513 0.758187 O\n",
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"formula_full": "Li8 V6 P16 O58",
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{
"id": "mp-1174098",
"created_at": "2022-09-04T14:47:42.199495Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n-5.600270 -0.344805 -1.344648\n-2.869803 -0.184799 5.826781\n0.890275 7.754152 0.043657\nLi Mn Co O\n10 4 2 16\ndirect\n0.875950 0.750155 0.249666 Li\n0.374050 0.749838 0.250333 Li\n0.067534 0.107705 0.374883 Li\n0.565171 0.105830 0.370828 Li\n0.182466 0.392293 0.125115 Li\n0.684827 0.394172 0.129173 Li\n0.822229 0.629091 0.887952 Li\n0.319183 0.629774 0.887976 Li\n0.930818 0.870225 0.612023 Li\n0.427769 0.870904 0.612048 Li\n0.507263 0.985925 0.005946 Mn\n0.742759 0.514087 0.494064 Mn\n0.008938 0.988305 0.006053 Mn\n0.241062 0.511690 0.493936 Mn\n0.625001 0.250001 0.749995 Co\n0.124998 0.249992 0.749999 Co\n0.278950 0.059577 0.165966 O\n0.775395 0.063699 0.164075 O\n0.971044 0.440420 0.334034 O\n0.474611 0.436302 0.335934 O\n0.020343 0.555959 0.665207 O\n0.521600 0.552154 0.666517 O\n0.728394 0.947843 0.833478 O\n0.229660 0.944042 0.834799 O\n0.658901 0.793406 0.444380 O\n0.160623 0.791186 0.443809 O\n0.089369 0.708813 0.056187 O\n0.591094 0.706620 0.055619 O\n0.919925 0.294010 0.924612 O\n0.406210 0.294046 0.920078 O\n0.330073 0.205985 0.575386 O\n0.843790 0.205951 0.579928 O\n",
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"elements": [
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"formula_full": "Li10 Mn4 Co2 O16",
"formula_reduced": "Li5Mn2CoO8",
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{
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"created_at": "2022-09-04T14:47:42.388682Z",
"structure_string": "Cu6 H4 C4 O16\n1.0\n6.030635 0.000000 0.000000\n0.000000 5.070037 0.000000\n0.000000 0.502511 10.488037\nCu H C O\n6 4 4 16\ndirect\n0.499518 0.250909 0.916214 Cu\n0.999518 0.749091 0.583786 Cu\n0.500482 0.749091 0.083786 Cu\n0.000482 0.250909 0.416214 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.299474 0.820709 0.875114 H\n0.799474 0.179291 0.624886 H\n0.700526 0.179291 0.124886 H\n0.200526 0.820709 0.375114 H\n0.806159 0.666615 0.819098 C\n0.306159 0.333385 0.680902 C\n0.693841 0.666615 0.319098 C\n0.193841 0.333385 0.180902 C\n0.302641 0.431367 0.791942 O\n0.802641 0.568633 0.708058 O\n0.191460 0.931234 0.449792 O\n0.691460 0.068766 0.050208 O\n0.808540 0.068766 0.550208 O\n0.308540 0.931234 0.949792 O\n0.586496 0.885730 0.333505 O\n0.086496 0.114270 0.166495 O\n0.413504 0.114270 0.666495 O\n0.913504 0.885730 0.833505 O\n0.794401 0.551194 0.415474 O\n0.294401 0.448806 0.084526 O\n0.205599 0.448806 0.584526 O\n0.705599 0.551194 0.915474 O\n0.697359 0.568633 0.208058 O\n0.197359 0.431367 0.291942 O\n",
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"density": 3.569560923456768,
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"volume": 320.67742191077116,
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"formula_full": "Cu6 H4 C4 O16",
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"energy": -194.33934626,
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{
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"created_at": "2022-09-04T14:47:42.316348Z",
"structure_string": "Cd4 Bi1 B3 O10\n1.0\n-0.002678 0.000000 3.566939\n-7.999156 0.000000 1.445752\n-3.999578 -8.020347 0.722876\nCd Bi B O\n4 1 3 10\ndirect\n0.167454 0.968236 0.230234 Cd\n0.167454 0.198471 0.769766 Cd\n0.849812 0.528185 0.356728 Cd\n0.849812 0.884913 0.643272 Cd\n0.500156 0.439525 0.000000 Bi\n0.417778 0.586733 0.601255 B\n0.417778 0.187988 0.398745 B\n0.787810 0.820875 0.000000 B\n0.415125 0.379436 0.294235 O\n0.415125 0.673671 0.705765 O\n0.215421 0.676128 0.454176 O\n0.215421 0.130303 0.545824 O\n0.613995 0.055931 0.351922 O\n0.613995 0.407853 0.648078 O\n0.734761 0.829424 0.150925 O\n0.734761 0.980349 0.849075 O\n0.897895 0.648383 0.000000 O\n0.078546 0.254803 0.000000 O\n",
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"density": 6.176334610106962,
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"formula_full": "Cd4 Bi1 B3 O10",
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{
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"created_at": "2022-09-04T14:47:42.550928Z",
"structure_string": "Sr8 Ni4 Cl4 O12\n1.0\n3.887479 3.885824 0.000001\n-3.885579 3.883941 -0.000003\n0.000011 -0.000002 14.723084\nSr Ni Cl O\n8 4 4 12\ndirect\n0.250002 0.999999 0.905804 Sr\n0.750000 0.499998 0.905174 Sr\n0.750000 0.000003 0.094787 Sr\n0.250001 0.500002 0.094435 Sr\n0.250001 0.999998 0.659285 Sr\n0.750001 0.499998 0.659575 Sr\n0.750001 0.000002 0.340299 Sr\n0.250001 0.500002 0.340618 Sr\n0.250000 0.499998 0.791673 Ni\n0.749999 0.499992 0.202720 Ni\n0.749986 0.000001 0.797259 Ni\n0.250000 0.000003 0.208391 Ni\n0.750000 0.999998 0.580543 Cl\n0.250000 0.499999 0.576436 Cl\n0.250000 0.000000 0.423640 Cl\n0.750001 0.500001 0.419676 Cl\n0.749998 0.999998 0.929247 O\n0.250000 0.499998 0.925445 O\n0.250001 0.000001 0.074336 O\n0.750000 0.500000 0.070709 O\n0.492357 0.257569 0.772373 O\n0.007645 0.742427 0.772372 O\n0.492366 0.742411 0.772277 O\n0.007635 0.257585 0.772277 O\n0.492314 0.757561 0.227630 O\n0.007687 0.242446 0.227630 O\n0.492370 0.242494 0.227695 O\n0.007631 0.757513 0.227695 O\n",
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{
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"structure_string": "Cr2 Ni2 Ag4 F14\n1.0\n-3.724445 3.857860 5.277797\n3.724445 -3.857860 5.277797\n3.724445 3.857860 -5.277797\nCr Ni Ag F\n2 2 4 14\ndirect\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.866153 0.593624 0.272530 F\n0.178906 0.906376 0.272530 F\n0.200542 0.818207 0.775575 F\n0.457368 0.681793 0.382335 F\n0.457368 0.075033 0.775575 F\n0.200542 0.424967 0.382335 F\n0.799458 0.575033 0.617665 F\n0.542632 0.924967 0.224425 F\n0.542632 0.318207 0.617665 F\n0.799458 0.181793 0.224425 F\n0.415002 0.250000 0.165002 F\n0.133847 0.406376 0.727470 F\n0.821094 0.093624 0.727470 F\n0.584998 0.750000 0.834998 F\n",
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{
"id": "mp-1228095",
"created_at": "2022-09-04T14:47:42.168441Z",
"structure_string": "Ba3 Mo2 N2 O6\n1.0\n7.426170 -3.047113 0.000000\n7.426170 3.047113 0.000000\n6.175875 0.000000 5.127520\nBa Mo N O\n3 2 2 6\ndirect\n0.201553 0.201553 0.201553 Ba\n0.798447 0.798447 0.798447 Ba\n0.000000 0.000000 0.000000 Ba\n0.593530 0.593530 0.593530 Mo\n0.406470 0.406470 0.406470 Mo\n0.674235 0.674235 0.674235 N\n0.325765 0.325765 0.325765 N\n0.267697 0.267697 0.768148 O\n0.768148 0.267697 0.267697 O\n0.267697 0.768148 0.267697 O\n0.732303 0.732303 0.231852 O\n0.231852 0.732303 0.732303 O\n0.732303 0.231852 0.732303 O\n",
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{
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